1-(1,6-dimethyl-1H-inden-2-yl)ethanone

C13H14O — CID 15338835

IUPAC1-(1,6-dimethyl-1H-inden-2-yl)ethanone
SMILESCC(=O)C1=Cc2ccc(C)cc2C1C
InChIInChI=1S/C13H14O/c1-8-4-5-11-7-12(10(3)14)9(2)13(11)6-8/h4-7,9H,1-3H3
InChIKeyMHEXBQVMIIXBLW-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.08
Rot. Bonds1

About 1-(1,6-dimethyl-1H-inden-2-yl)ethanone

1-(1,6-dimethyl-1H-inden-2-yl)ethanone (PubChem CID 15338835) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(1,6-dimethyl-1H-inden-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,6-dimethyl-1H-inden-2-yl)ethanone
PubChem CID15338835
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name1-(1,6-dimethyl-1H-inden-2-yl)ethanone
SMILESCC(=O)C1=Cc2ccc(C)cc2C1C
InChIInChI=1S/C13H14O/c1-8-4-5-11-7-12(10(3)14)9(2)13(11)6-8/h4-7,9H,1-3H3
InChIKeyMHEXBQVMIIXBLW-UHFFFAOYSA-N
XLogP3.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,6-dimethyl-1H-inden-2-yl)ethanone?
The IUPAC name of 1-(1,6-dimethyl-1H-inden-2-yl)ethanone (CID 15338835) is 1-(1,6-dimethyl-1H-inden-2-yl)ethanone.
What is the SMILES notation for 1-(1,6-dimethyl-1H-inden-2-yl)ethanone?
The canonical SMILES for 1-(1,6-dimethyl-1H-inden-2-yl)ethanone is CC(=O)C1=Cc2ccc(C)cc2C1C.
What is the InChIKey of 1-(1,6-dimethyl-1H-inden-2-yl)ethanone?
The InChIKey is MHEXBQVMIIXBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-8-4-5-11-7-12(10(3)14)9(2)13(11)6-8/h4-7,9H,1-3H3.
What are the key properties of 1-(1,6-dimethyl-1H-inden-2-yl)ethanone?
1-(1,6-dimethyl-1H-inden-2-yl)ethanone has a molecular weight of 186.25 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-dimethyl-1H-inden-2-yl)ethanone is sourced from PubChem (CID 15338835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).